4-[(2,4-dimethylanilino)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Chemical Structure Depiction of
4-[(2,4-dimethylanilino)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
4-[(2,4-dimethylanilino)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Compound characteristics
| Compound ID: | 5122-2957 |
| Compound Name: | 4-[(2,4-dimethylanilino)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | Cc1ccc(c(C)c1)N/C=C1C(N(C(c2ccccc\12)=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5013 |
| logD: | 4.5012 |
| logSw: | -4.3763 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.689 |
| InChI Key: | ZKDSINHNXVQALE-UHFFFAOYSA-N |